CID 493162

Zhu-ix-189

Structural Information

Molecular Formula
C20H14O5
SMILES
CC1=C(C=C2C=CC3=C(C2=C1C4=CC5=C(C=C4)OCO5)OCO3)C=O
InChI
InChI=1S/C20H14O5/c1-11-14(8-21)6-12-3-5-16-20(25-10-23-16)19(12)18(11)13-2-4-15-17(7-13)24-9-22-15/h2-8H,9-10H2,1H3
InChIKey
DMSSHPBZWKUREJ-UHFFFAOYSA-N
Compound name
9-(1,3-benzodioxol-5-yl)-8-methylbenzo[g][1,3]benzodioxole-7-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.08414 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.09142 173.6
[M+Na]+ 357.07336 184.4
[M-H]- 333.07686 186.6
[M+NH4]+ 352.11796 188.8
[M+K]+ 373.04730 184.3
[M+H-H2O]+ 317.08140 169.2
[M+HCOO]- 379.08234 190.9
[M+CH3COO]- 393.09799 186.8
[M+Na-2H]- 355.05881 177.9
[M]+ 334.08359 180.5
[M]- 334.08469 180.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.